SCHEMBL2476683

SCHEMBL2476683

CCC(=Cc1cc(C)ccc1[C@@H](C)OC[C@H]1CO1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2476679 1.00 SRC (0.33) SRCALDH1A1SMN1; SMN2NPBWR1MCHR1
SCHEMBL2480691 0.93 MGLL (0.33) SRCALDH1A1SMN1; SMN2NPBWR1MCHR1
SCHEMBL2480693 0.93 MGLL (0.33) SRCALDH1A1SMN1; SMN2NPBWR1MCHR1
SCHEMBL2477017 0.89 PPARG (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2477018 0.89 PPARG (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2481308 0.88 FFAR1 (0.35) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2481311 0.88 FFAR1 (0.35) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2481306 0.88 FFAR1 (0.35) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2477146 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2477143 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed